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C++ Wavefunction::Copy方法代码示例

本文整理汇总了C++中Wavefunction::Copy方法的典型用法代码示例。如果您正苦于以下问题:C++ Wavefunction::Copy方法的具体用法?C++ Wavefunction::Copy怎么用?C++ Wavefunction::Copy使用的例子?那么恭喜您, 这里精选的方法代码示例或许可以为您提供帮助。您也可以进一步了解该方法所在Wavefunction的用法示例。


在下文中一共展示了Wavefunction::Copy方法的2个代码示例,这些例子默认根据受欢迎程度排序。您可以为喜欢或者感觉有用的代码点赞,您的评价将有助于系统推荐出更棒的C++代码示例。

示例1: begin

/*
 * Maps the given wavefunction to one where the particles are exchanged
 * psi(1,2) -> psi(2,1)
 */
Wavefunction<3>::Ptr GetWavefunctionParticleExchange(Wavefunction<3>::Ptr psi, list angularSymmetrizationPairs)
{
	typedef Array<cplx, 3> ArrayType;
	ArrayType data = psi->GetData();

	int countr = data.extent(1);
	typedef stl_input_iterator<tuple> Iterator;
	Iterator begin(angularSymmetrizationPairs);
	Iterator end;

	Wavefunction<3>::Ptr exchgPsi = psi->Copy();
	ArrayType exchgData = exchgPsi->GetData();

	for (Iterator i=begin; i!=end; i++)
	{
		int a1 = extract<int>((*i)[0]);
		int a2 = extract<int>((*i)[1]);

		for (int r1=0; r1<countr; r1++)
		{
			for (int r2=0; r2<countr; r2++)
			{
				exchgData(a1, r1, r2) = data(a2, r2, r1);
			}
		}
	}
	
	return exchgPsi;
}
开发者ID:AtomAleks,项目名称:pyprop-helium,代码行数:33,代码来源:analysis.cpp

示例2:

void DistributedOverlapMatrix<Rank>::SetupRank(Wavefunction<Rank> &srcPsi, int opRank)
{
	//Need a copy of srcPsi for future reference (only on first call to this function)
	if (!HasPsi)
	{
		Psi = srcPsi.Copy();
		HasPsi = true;
	}

	//Check that distribution for opRank has not changed since last call.
	//Also check that typeID of representation is the same
/*	int curDistribOpRank = Psi->GetRepresentation()->GetDistributedModel()->GetDistribution()(opRank);
	int srcDistribOpRank = srcPsi.GetRepresentation()->GetDistributedModel()->GetDistribution()(opRank);
	if ( (curDistribOpRank != srcDistribOpRank) )
	{
		Psi = srcPsi.Copy();

		//NB: We reset IsSetup flag for _all_ ranks!
		IsSetupRank = false;
	}
*/
	if (!IsSetupRank(opRank))
	{
		//Sanity check: operation rank should be less than rank of wavefunction (and nonzero, duh)
		assert(opRank < Rank);
		assert(opRank > -1);

		//Assert non-orthogonal rank opRank
		assert (!srcPsi.GetRepresentation()->IsOrthogonalBasis(opRank));

		//Create Epetra map for this rank
		WavefunctionMaps(opRank) = CreateWavefunctionMultiVectorEpetraMap<Rank>(Psi, opRank);

		//Setup overlap matrix
		SetupOverlapMatrixRank(srcPsi, opRank);

		//Setup work multivectors
		blitz::Array<cplx, 3> psiData = MapToRank3(srcPsi.GetData(), opRank, 1);
		int numVectors = 2 * psiData.extent(0) * psiData.extent(2);
		InputVector(opRank) = Epetra_MultiVector_Ptr( new Epetra_MultiVector(*WavefunctionMaps(opRank), numVectors, false) );
		OutputVector(opRank) = Epetra_MultiVector_Ptr( new Epetra_MultiVector(*WavefunctionMaps(opRank), numVectors, false) );

		//Allocate mem for multivectors
		//InputData.resize(srcPsi.GetData().size(), 1);
		//OutputData.resize(srcPsi.GetData().size(), 1);
	
		//Setup Amesos solvers
		SetupOverlapSolvers(srcPsi, opRank);
		
		//Flag this rank as set up
		IsSetupRank(opRank) = true;
	}
}
开发者ID:AtomAleks,项目名称:PyProp,代码行数:53,代码来源:distributedoverlapmatrix.cpp


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